2-methyl-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-propyl-pyrazole-3-carboxamide

Systemtic Name: 2-methyl-4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-propyl-pyrazole-3-carboxamide Openeye Name: 2-methyl-4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-propyl-pyrazole-3-carboxamide CAS Name: 2-methyl-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-propyl-3-pyrazolecarboxamide IUPAC Name: 2-methyl-4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-propylpyrazole-3-carboxamide Traditional Name: 4-(4-keto-2-thioxo-1H-quinazolin-3-yl)-2-methyl-N-propyl-pyrazole-3-carboxamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=C(C=NN1C)N2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCCNC(=O)C1=C(C=NN1C)N2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C16H17N5O2S/c1-3-8-17-14(22)13-12(9-18-20(13)2)21-15(23)10-6-4-5-7-11(10)19-16(21)24/h4-7,9H,3,8H2,1-2H3,(H,17,22)(H,19,24)